MORPHINE

Search structure
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N02AA01
UNII: 76I7G6D29C

Structure
InChI Key BQJCRHHNABKAKU-KBQPJGBKSA-N
Smile CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
InChI
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO3
Molecular Weight 285.34
AlogP 1.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 52.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Primary Target
μ receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 5
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
4-501 4-29300 - 0-38 61-98
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
3 - - - 25
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 28000-71790 - - 68
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 2
Unclassified protein
- - - 1427 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Wounds and Injuries 3 D014947 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Fractures, Bone 3 D050723 ClinicalTrials
Neonatal Abstinence Syndrome 3 D009357 ClinicalTrials
Pruritus 3 D011537 ClinicalTrials
Opioid-Related Disorders 3 D009293 ClinicalTrials
Renal Colic 3 D056844 ClinicalTrials
Sleep Apnea, Obstructive 3 D020181 ClinicalTrials
Scoliosis 3 D012600 ClinicalTrials
Obesity 3 D009765 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Anemia, Sickle Cell 3 D000755 ClinicalTrials
Dyspnea 3 D004417 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Kidney Calculi 3 D007669 ClinicalTrials
Opioid-Related Disorders 3 D009293 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
Rotator Cuff Injuries 2 D000070636 ClinicalTrials
Hemorrhage 2 D006470 ClinicalTrials
Fractures, Multiple 2 D000069076 ClinicalTrials
Blood Coagulation Disorders 2 D001778 ClinicalTrials
Tonsillitis 2 D014069 ClinicalTrials
Chronic Pain 2 D059350 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Mucositis 2 D052016 ClinicalTrials
Postoperative Complications 2 D011183 ClinicalTrials
Stomatitis 2 D013280 ClinicalTrials
Premature Birth 2 D047928 ClinicalTrials
Restless Legs Syndrome 1 D012148 ClinicalTrials
Rheumatic Diseases 1 D012216 ClinicalTrials
Constipation 1 D003248 ClinicalTrials
Heart Arrest 1 D006323 ClinicalTrials
Heroin Dependence 1 D006556 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 57-27-2
ChEBI 17303
ChEMBL CHEMBL70
DrugBank DB00295
DrugCentral 1845
EPA CompTox DTXSID9023336
FDA SRS 76I7G6D29C
Human Metabolome Database HMDB0014440
Guide to Pharmacology 1627
KEGG C01516
PDB MOI
PharmGKB PA450550
PubChem 5288826
SureChEMBL SCHEMBL2997
ZINC ZINC000003812983
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